4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide

C18H13N5O2S — CID 39835416

IUPAC4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H13N5O2S/c1-11-15(26-23-21-11)17(24)19-14-9-5-8-13(10-14)18-20-16(22-25-18)12-6-3-2-4-7-12/h2-10H,1H3,(H,19,24)
InChIKeySBTAPGKGYVTIPV-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.82
Rot. Bonds4

About 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide

4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide (PubChem CID 39835416) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide
PubChem CID39835416
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C18H13N5O2S/c1-11-15(26-23-21-11)17(24)19-14-9-5-8-13(10-14)18-20-16(22-25-18)12-6-3-2-4-7-12/h2-10H,1H3,(H,19,24)
InChIKeySBTAPGKGYVTIPV-UHFFFAOYSA-N
XLogP3.82
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 4972613
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
CID 146021769
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266949
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide (CID 39835416) is 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is SBTAPGKGYVTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c1-11-15(26-23-21-11)17(24)19-14-9-5-8-13(10-14)18-20-16(22-25-18)12-6-3-2-4-7-12/h2-10H,1H3,(H,19,24).
What are the key properties of 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 39835416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).